3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol

C8H13N3O2 — CID 82407214

IUPAC3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol
SMILESNC(c1cocn1)C1(O)CCNC1
InChIInChI=1S/C8H13N3O2/c9-7(6-3-13-5-11-6)8(12)1-2-10-4-8/h3,5,7,10,12H,1-2,4,9H2
InChIKeyMBWMHGVVUNLHNE-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.60
Rot. Bonds2

About 3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol

3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 82407214) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID82407214
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol
SMILESNC(c1cocn1)C1(O)CCNC1
InChIInChI=1S/C8H13N3O2/c9-7(6-3-13-5-11-6)8(12)1-2-10-4-8/h3,5,7,10,12H,1-2,4,9H2
InChIKeyMBWMHGVVUNLHNE-UHFFFAOYSA-N
XLogP-0.60
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol (CID 82407214) is 3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol is NC(c1cocn1)C1(O)CCNC1.
What is the InChIKey of 3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is MBWMHGVVUNLHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-7(6-3-13-5-11-6)8(12)1-2-10-4-8/h3,5,7,10,12H,1-2,4,9H2.
What are the key properties of 3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol?
3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 183.21 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 82407214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).